1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one

C12H17N3O2S — CID 4580656

IUPAC1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
SMILESCC(=O)CSc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(15-3-5-17-6-4-15)14-12(13-9)18-8-10(2)16/h7H,3-6,8H2,1-2H3
InChIKeyKSKADVBGNDETMZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one

1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one (PubChem CID 4580656) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
PubChem CID4580656
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
SMILESCC(=O)CSc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(15-3-5-17-6-4-15)14-12(13-9)18-8-10(2)16/h7H,3-6,8H2,1-2H3
InChIKeyKSKADVBGNDETMZ-UHFFFAOYSA-N
XLogP1.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine
CID 14397680
2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
CID 23993191
N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
CID 4684327
methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 4548131
1-(4-acetylpiperazin-1-yl)-2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylethanone
CID 42753909
[5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42825099
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
CID 865548
1-[6-methyl-2-(2-oxopropylsulfanyl)pyrimidin-4-yl]oxypropan-2-one
CID 12753455
ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895441
ethyl 4-[2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
CID 42753898
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one (CID 4580656) is 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one is CC(=O)CSc1nc(C)cc(N2CCOCC2)n1.
What is the InChIKey of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one?
The InChIKey is KSKADVBGNDETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-11(15-3-5-17-6-4-15)14-12(13-9)18-8-10(2)16/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one?
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one has a molecular weight of 267.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one is sourced from PubChem (CID 4580656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).